2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride

C8H8BrCl2F2N — CID 134690956

IUPAC2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.NCC(F)(F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClF2N.ClH/c9-5-1-2-6(7(10)3-5)8(11,12)4-13;/h1-3H,4,13H2;1H
InChIKeyIELMGMWKSVLOAO-UHFFFAOYSA-N
MW306.96 g/mol
LogP3.57
Rot. Bonds2

About 2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride

2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 134690956) has the molecular formula C8H8BrCl2F2N and a molecular weight of 306.96 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID134690956
Molecular FormulaC8H8BrCl2F2N
Molecular Weight306.96 g/mol
Exact Mass304.92
IUPAC Name2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.NCC(F)(F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClF2N.ClH/c9-5-1-2-6(7(10)3-5)8(11,12)4-13;/h1-3H,4,13H2;1H
InChIKeyIELMGMWKSVLOAO-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.96
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-bromo-2-chlorophenyl)-4,4-difluoro-1-[2-(trifluoromethyl)phenyl]butan-1-one
CID 147841288
2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752950
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
CID 82780088
2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine
CID 116838633
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride
CID 175839042
2-(4-bromo-2-chlorophenyl)nonan-2-amine
CID 82779733
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386
3-(aminomethyl)-2-(4-bromo-2-chlorophenyl)hexan-2-ol
CID 82781129
1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol
CID 82775957
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
CID 175839043
(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
CID 124567259

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride (CID 134690956) is 2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride is Cl.NCC(F)(F)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is IELMGMWKSVLOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2N.ClH/c9-5-1-2-6(7(10)3-5)8(11,12)4-13;/h1-3H,4,13H2;1H.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride?
2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 306.96 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 134690956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).